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2-[5-CYANO-6-(PARA-DIMETHYLAMINOPHENYL)-2-THIOXO-1,2-DIHYDROPYRIMIDINE-4-YL-AMINO]-BENZOIC-ACID

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2-[5-CYANO-6-(PARA-DIMETHYLAMINOPHENYL)-2-THIOXO-1,2-DIHYDROPYRIMIDINE-4-YL-AMINO]-BENZOIC-ACID
SpectraBase Compound ID 5TKe5nREbLF
InChI InChI=1S/C20H17N5O2S/c1-25(2)13-9-7-12(8-10-13)17-15(11-21)18(24-20(28)23-17)22-16-6-4-3-5-14(16)19(26)27/h3-10H,1-2H3,(H,26,27)(H2,22,23,24,28)
InChIKey PQFUCPLAMSEPNJ-UHFFFAOYSA-N
Mol Weight 391.45 g/mol
Molecular Formula C20H17N5O2S
Exact Mass 391.110296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 610hnsTWOTN
Name 2-[5-CYANO-6-(PARA-DIMETHYLAMINOPHENYL)-2-THIOXO-1,2-DIHYDROPYRIMIDINE-4-YL-AMINO]-BENZOIC-ACID
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17N5O2S
InChI InChI=1S/C20H17N5O2S/c1-25(2)13-9-7-12(8-10-13)17-15(11-21)18(24-20(28)23-17)22-16-6-4-3-5-14(16)19(26)27/h3-10H,1-2H3,(H,26,27)(H2,22,23,24,28)
InChIKey PQFUCPLAMSEPNJ-UHFFFAOYSA-N
Literature Reference Author M.S.MOHAMED,A.M.AWAD,N.M.AHMED
Literature Reference Citation ACTA.PHARM.,61,171(2011)
Molecular Weight 391.447 g/mol
Solvent Unknown
Source File Reference UWLU78980